
     Program PHONON v.4.2       starts on 30May2010 at 17:20: 7 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please acknowledge
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI), running on     1 processors

     Ultrasoft (Vanderbilt) Pseudopotentials

     Planes per process (thick) : nr3 =  20 npp =   20 ncplane =   400
 
     Proc/  planes cols     G    planes cols    G      columns  G
     Pool       (dense grid)       (smooth grid)      (wavefct grid)
        1    20    241     2445   20    241     2445     85      459
 


     Dynamical matrices for ( 4, 4, 4,)  uniform grid of q-points
     (   8q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.000000000   0.500000000   0.000000000
       5   0.750000000  -0.250000000   0.750000000
       6   0.500000000   0.000000000   0.500000000
       7   0.000000000  -1.000000000   0.000000000
       8  -0.500000000  -1.000000000   0.000000000

     Calculation of q =    0.0000000   0.5000000   0.0000000

     Planes per process (thick) : nr3 =  20 npp =   20 ncplane =   400
 
     Proc/  planes cols     G    planes cols    G      columns  G
     Pool       (dense grid)       (smooth grid)      (wavefct grid)
        1    20    241     2445   20    241     2445     85      531
 


     bravais-lattice index     =            2
     lattice parameter (a_0)   =      10.5000  a.u.
     unit-cell volume          =     289.4062 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      16.0000  Ry
     charge density cutoff     =      64.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC (1100)
     EXX-fraction              =        0.00

     celldm(1)=  10.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = ( -0.500000  0.000000  0.500000 )  
               a(2) = (  0.000000  0.500000  0.500000 )  
               a(3) = ( -0.500000  0.500000  0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file Al.pz-vbc.UPF
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for As read from file As.pz-bhs.UPF
     Pseudo is Norm-conserving, Zval =  5.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  525 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)
        As             5.00    74.92000     As( 1.00)

     24 Sym.Ops. (no inversion)


   Cartesian axes

     site n.     atom                  positions (a_0 units)
         1           Al  tau(  1) = (   0.0000000   0.0000000   0.0000000  )
         2           As  tau(  2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=    24
                       cart. coord. in units 2pi/a_0
        k(    1) = (   0.2500000   0.2500000   0.2500000), wk =   0.1250000
        k(    2) = (   0.2500000   0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.2500000   0.2500000   0.7500000), wk =   0.2500000
        k(    4) = (   0.2500000   0.7500000   0.7500000), wk =   0.0000000
        k(    5) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.1250000
        k(    6) = (  -0.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    7) = (  -0.2500000  -0.2500000  -0.2500000), wk =   0.1250000
        k(    8) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0000000
        k(    9) = (   0.2500000   0.2500000  -0.2500000), wk =   0.1250000
        k(   10) = (   0.2500000   0.7500000  -0.2500000), wk =   0.0000000
        k(   11) = (  -0.2500000  -0.2500000   0.7500000), wk =   0.2500000
        k(   12) = (  -0.2500000   0.2500000   0.7500000), wk =   0.0000000
        k(   13) = (   0.2500000  -0.7500000  -0.2500000), wk =   0.1250000
        k(   14) = (   0.2500000  -0.2500000  -0.2500000), wk =   0.0000000
        k(   15) = (   0.2500000   0.7500000   0.2500000), wk =   0.1250000
        k(   16) = (   0.2500000   1.2500000   0.2500000), wk =   0.0000000
        k(   17) = (  -0.2500000  -0.2500000  -0.7500000), wk =   0.2500000
        k(   18) = (  -0.2500000   0.2500000  -0.7500000), wk =   0.0000000
        k(   19) = (   0.2500000   0.2500000  -0.7500000), wk =   0.2500000
        k(   20) = (   0.2500000   0.7500000  -0.7500000), wk =   0.0000000
        k(   21) = (  -0.2500000   0.7500000   0.2500000), wk =   0.1250000
        k(   22) = (  -0.2500000   1.2500000   0.2500000), wk =   0.0000000
        k(   23) = (  -0.2500000  -0.7500000  -0.2500000), wk =   0.1250000
        k(   24) = (  -0.2500000  -0.2500000  -0.2500000), wk =   0.0000000

     G cutoff =  178.7306  (   2445 G-vectors)     FFT grid: ( 20, 20, 20)

     Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         0.02 Mb     (    311,   4)
        NL pseudopotentials             0.04 Mb     (    311,   8)
        Each V/rho on FFT grid          0.12 Mb     (   8000)
        Each G-vector array             0.02 Mb     (   2445)
        G-vector shells                 0.00 Mb     (     61)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         0.08 Mb     (    311,  16)
        Each subspace H/S matrix        0.00 Mb     (     16,  16)
        Each <psi_i|beta_j> matrix      0.00 Mb     (      8,   4)

     The potential is recalculated from file :
     /home/dalcorso/tmp/4/_ph0alas.save/charge-density.dat

     Starting wfc are   13 atomic wfcs

     total cpu time spent up to now is      0.08 secs

     per-process dynamical memory:     4.1 Mb

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.3

     total cpu time spent up to now is      0.97 secs

     End of band structure calculation

          k = 0.2500 0.2500 0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k = 0.2500 0.7500 0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500 0.2500 0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500 0.7500 0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500-0.2500 0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k =-0.2500 0.2500 0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k =-0.2500-0.2500-0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k =-0.2500 0.2500-0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k = 0.2500 0.2500-0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k = 0.2500 0.7500-0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500-0.2500 0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500 0.2500 0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500-0.7500-0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500-0.2500-0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

          k = 0.2500 0.7500 0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500 1.2500 0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500-0.2500-0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500 0.2500-0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500 0.2500-0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k = 0.2500 0.7500-0.7500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500 0.7500 0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500 1.2500 0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500-0.7500-0.2500     band energies (ev):

    -5.1817  -0.0414   2.3126   3.5087

          k =-0.2500-0.2500-0.2500     band energies (ev):

    -6.3573   1.7036   4.6971   4.6971

     Writing output data file alas.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (a_0)   =      10.5000  a.u.
     unit-cell volume          =     289.4062 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            2
     kinetic-energy cut-off    =      16.0000  Ry
     charge density cut-off    =      64.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC (1100)
     EXX-fraction              =        0.00


     celldm(1)=   10.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

   Cartesian axes

     site n.  atom      mass           positions (a_0 units)
        1        Al  26.9800   tau( 1) = (    0.00000    0.00000    0.00000  )
        2        As  74.9200   tau( 2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.5000000   0.0000000 )
 
      4 Sym.Ops. (no q -> -q+G )


     G cutoff =  178.7306  (   2445 G-vectors)     FFT grid: ( 20, 20, 20)
     number of k points=    24

     PseudoPot. # 1 for Al read from file Al.pz-vbc.UPF
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     PseudoPot. # 2 for As read from file As.pz-bhs.UPF
     Pseudo is Norm-conserving, Zval =  5.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  525 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1


     Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1 To be done

     Representation     2      1 modes -B_1  D_3  S_3 To be done

     Representation     3      1 modes -B_2  D_4  S_4 To be done

     Representation     4      1 modes -A_1  D_1  S_1 To be done

     Representation     5      1 modes -B_2  D_4  S_4 To be done

     Representation     6      1 modes -B_1  D_3  S_3 To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     1.56s CPU time,        1.60s WALL time



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     1.9 secs   av.it.:   6.5
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.192E-02

      iter #   2 total cpu time :     2.2 secs   av.it.:   8.0
      thresh= 0.438E-02 alpha_mix =  0.700 |ddv_scf|^2 =  0.160E-01

      iter #   3 total cpu time :     2.5 secs   av.it.:   7.0
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.212E-05

      iter #   4 total cpu time :     2.8 secs   av.it.:   8.2
      thresh= 0.146E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.255E-07

      iter #   5 total cpu time :     3.1 secs   av.it.:   8.8
      thresh= 0.160E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.712E-10

      iter #   6 total cpu time :     3.7 secs   av.it.:   8.3
      thresh= 0.844E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.260E-10

      iter #   7 total cpu time :     4.0 secs   av.it.:   7.5
      thresh= 0.510E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.320E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :     4.2 secs   av.it.:   5.8
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.877E-05

      iter #   2 total cpu time :     4.6 secs   av.it.:   8.4
      thresh= 0.296E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.118E-05

      iter #   3 total cpu time :     4.9 secs   av.it.:   8.2
      thresh= 0.109E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.385E-09

      iter #   4 total cpu time :     5.2 secs   av.it.:   8.0
      thresh= 0.196E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.153E-10

      iter #   5 total cpu time :     5.5 secs   av.it.:   8.2
      thresh= 0.391E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.667E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :     5.8 secs   av.it.:   4.9
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.109E-05

      iter #   2 total cpu time :     6.1 secs   av.it.:   8.4
      thresh= 0.105E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.126E-06

      iter #   3 total cpu time :     6.5 secs   av.it.:   8.2
      thresh= 0.355E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.660E-09

      iter #   4 total cpu time :     6.8 secs   av.it.:   8.0
      thresh= 0.257E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.211E-10

      iter #   5 total cpu time :     7.1 secs   av.it.:   7.8
      thresh= 0.460E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.380E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  4 mode #   4

     Self-consistent Calculation

      iter #   1 total cpu time :     7.4 secs   av.it.:   5.7
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.375E-03

      iter #   2 total cpu time :     7.7 secs   av.it.:   8.0
      thresh= 0.194E-02 alpha_mix =  0.700 |ddv_scf|^2 =  0.291E-02

      iter #   3 total cpu time :     8.0 secs   av.it.:   6.7
      thresh= 0.539E-02 alpha_mix =  0.700 |ddv_scf|^2 =  0.566E-06

      iter #   4 total cpu time :     8.3 secs   av.it.:   7.8
      thresh= 0.752E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.575E-08

      iter #   5 total cpu time :     8.7 secs   av.it.:   8.8
      thresh= 0.758E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.105E-09

      iter #   6 total cpu time :     9.0 secs   av.it.:   8.1
      thresh= 0.103E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.430E-09

      iter #   7 total cpu time :     9.3 secs   av.it.:   7.2
      thresh= 0.207E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.103E-10

      iter #   8 total cpu time :     9.6 secs   av.it.:   7.3
      thresh= 0.321E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.244E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  5 mode #   5

     Self-consistent Calculation

      iter #   1 total cpu time :     9.9 secs   av.it.:   5.8
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.877E-05

      iter #   2 total cpu time :    10.2 secs   av.it.:   8.4
      thresh= 0.296E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.118E-05

      iter #   3 total cpu time :    10.6 secs   av.it.:   8.1
      thresh= 0.109E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.385E-09

      iter #   4 total cpu time :    10.9 secs   av.it.:   8.0
      thresh= 0.196E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.153E-10

      iter #   5 total cpu time :    11.2 secs   av.it.:   8.2
      thresh= 0.391E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.669E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  6 mode #   6

     Self-consistent Calculation

      iter #   1 total cpu time :    11.5 secs   av.it.:   4.9
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.109E-05

      iter #   2 total cpu time :    11.8 secs   av.it.:   8.4
      thresh= 0.105E-03 alpha_mix =  0.700 |ddv_scf|^2 =  0.126E-06

      iter #   3 total cpu time :    12.2 secs   av.it.:   8.3
      thresh= 0.355E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.661E-09

      iter #   4 total cpu time :    12.5 secs   av.it.:   7.9
      thresh= 0.257E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.211E-10

      iter #   5 total cpu time :    12.8 secs   av.it.:   7.8
      thresh= 0.460E-06 alpha_mix =  0.700 |ddv_scf|^2 =  0.380E-14

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    6
     List of q in the star:
          1   0.000000000   0.500000000   0.000000000
          2   0.000000000  -0.500000000   0.000000000
          3   0.000000000   0.000000000   0.500000000
          4   0.000000000   0.000000000  -0.500000000
          5   0.500000000   0.000000000   0.000000000
          6  -0.500000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.500000000   0.000000000 ) 

 **************************************************************************
     omega( 1) =       2.424114 [THz] =      80.860282 [cm-1]
     omega( 2) =       2.424114 [THz] =      80.860282 [cm-1]
     omega( 3) =       4.608747 [THz] =     153.732261 [cm-1]
     omega( 4) =      10.666423 [THz] =     355.795936 [cm-1]
     omega( 5) =      10.666423 [THz] =     355.795936 [cm-1]
     omega( 6) =      12.370800 [THz] =     412.648230 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     omega(  1 -  2) =         80.9  [cm-1]   --> B_1  D_3  S_3      
     omega(  1 -  2) =         80.9  [cm-1]   --> B_2  D_4  S_4      
     omega(  3 -  3) =        153.7  [cm-1]   --> A_1  D_1  S_1      
     omega(  4 -  5) =        355.8  [cm-1]   --> B_1  D_3  S_3      
     omega(  4 -  5) =        355.8  [cm-1]   --> B_2  D_4  S_4      
     omega(  6 -  6) =        412.6  [cm-1]   --> A_1  D_1  S_1      

 **************************************************************************
 
     init_run     :      0.07s CPU      0.08s WALL (       1 calls)
     electrons    :      0.88s CPU      0.89s WALL (       1 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.00s CPU      0.00s WALL (       1 calls)

     Called by electrons:
     c_bands      :      0.88s CPU      0.89s WALL (       1 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       2 calls)

     Called by c_bands:
     init_us_2    :      0.07s CPU      0.08s WALL (     540 calls)
     cegterg      :      0.68s CPU      0.68s WALL (      24 calls)

     Called by *egterg:
     h_psi        :      0.75s CPU      0.76s WALL (     296 calls)
     g_psi        :      0.02s CPU      0.02s WALL (     248 calls)
     cdiaghg      :      0.03s CPU      0.03s WALL (     272 calls)

     Called by h_psi:
     add_vuspsi   :      0.14s CPU      0.13s WALL (    4086 calls)

     General routines
     calbec       :      0.26s CPU      0.26s WALL (    8284 calls)
     cft3s        :      9.39s CPU      9.43s WALL (   36076 calls)
     davcio       :      0.01s CPU      0.06s WALL (    2376 calls)
 
     Parallel routines
 
     PHONON       :    12.48s CPU time,       12.88s WALL time

     INITIALIZATION: 
     phq_setup    :      0.01s CPU      0.01s WALL (       1 calls)
     phq_init     :      0.05s CPU      0.05s WALL (       1 calls)
 
     phq_init     :      0.05s CPU      0.05s WALL (       1 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (       2 calls)
     init_us_1    :      0.06s CPU      0.06s WALL (       2 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :      0.01s CPU      0.01s WALL (       1 calls)
     phqscf       :     10.91s CPU     11.27s WALL (       1 calls)
     dynmatrix    :      0.01s CPU      0.01s WALL (       1 calls)
 
     phqscf       :     10.91s CPU     11.27s WALL (       1 calls)
     solve_linter :     10.81s CPU     11.17s WALL (       6 calls)
     drhodv       :      0.04s CPU      0.04s WALL (       6 calls)
 
     dynmat0      :      0.01s CPU      0.01s WALL (       1 calls)
     dynmat_us    :      0.01s CPU      0.01s WALL (       1 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (       1 calls)
 
     dynmat_us    :      0.01s CPU      0.01s WALL (       1 calls)
 
     phqscf       :     10.91s CPU     11.27s WALL (       1 calls)
     solve_linter :     10.81s CPU     11.17s WALL (       6 calls)
 
     solve_linter :     10.81s CPU     11.17s WALL (       6 calls)
     dvqpsi_us    :      0.20s CPU      0.20s WALL (      72 calls)
     ortho        :      0.02s CPU      0.02s WALL (     420 calls)
     cgsolve      :      8.35s CPU      8.41s WALL (     420 calls)
     incdrhoscf   :      0.99s CPU      0.99s WALL (     420 calls)
     vpsifft      :      0.77s CPU      0.79s WALL (     348 calls)
     dv_of_drho   :      0.05s CPU      0.05s WALL (      35 calls)
     mix_pot      :      0.03s CPU      0.06s WALL (      35 calls)
     psymdvscf    :      0.06s CPU      0.06s WALL (      35 calls)
 
     dvqpsi_us    :      0.20s CPU      0.20s WALL (      72 calls)
     dvqpsi_us_on :      0.01s CPU      0.01s WALL (      72 calls)
 
     cgsolve      :      8.35s CPU      8.41s WALL (     420 calls)
     ch_psi       :      8.21s CPU      8.27s WALL (    3790 calls)
 
     ch_psi       :      8.21s CPU      8.27s WALL (    3790 calls)
     h_psiq       :      7.87s CPU      7.92s WALL (    3790 calls)
     last         :      0.31s CPU      0.31s WALL (    3790 calls)
 
     h_psiq       :      7.87s CPU      7.92s WALL (    3790 calls)
     firstfft     :      3.65s CPU      3.73s WALL (   13288 calls)
     secondfft    :      3.57s CPU      3.53s WALL (   13288 calls)
     add_vuspsi   :      0.14s CPU      0.13s WALL (    4086 calls)
 
     incdrhoscf   :      0.99s CPU      0.99s WALL (     420 calls)
 
 
      General routines
     calbec       :      0.26s CPU      0.26s WALL (    8284 calls)
     cft3s        :      9.39s CPU      9.43s WALL (   36076 calls)
     davcio       :      0.01s CPU      0.06s WALL (    2376 calls)
     write_rec    :      0.30s CPU      0.52s WALL (      41 calls)
 
